2-(4-(Methylthio)phenyl)acetonitrile
TL;DR: 2-(4-(Methylthio)phenyl)acetonitrile (CAS 21382-98-9) is a chemical compound with molecular formula C9H9NS and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylsulfanylphenyl)acetonitrile
Also Known As: 4-(Methylthio)phenylacetonitrile, P-(Methylthio)Phenylacetonitrile, 2-(4-(methylthio)phenyl)acetonitrile, 4-(methylthio)benzyl cyanide, 2-(4-methylsulfanylphenyl)acetonitrile
| Molecular Formula | C9H9NS |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | 2.47458 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.04558 |
| Heavy Atoms | 11 |
| Complexity | 257.88638 |
Chemical Identifiers
| CAS Number | 21382-98-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)CC#N |
Product Overview
2-(4-(Methylthio)phenyl)acetonitrile (CAS 21382-98-9), with molecular formula C9H9NS and molecular weight 163.05 g/mol. IUPAC: 2-(4-methylsulfanylphenyl)acetonitrile.
Chemical Property Profile of 2-(4-(Methylthio)phenyl)acetonitrile
Property Insights of 2-(4-(Methylthio)phenyl)acetonitrile
The XLogP value of 2.47458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(Methylthio)phenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(4-(Methylthio)phenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(Methylthio)phenyl)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-(Methylthio)phenyl)acetonitrile?
The CAS number of 2-(4-(Methylthio)phenyl)acetonitrile is 21382-98-9.
What is the molecular formula of 2-(4-(Methylthio)phenyl)acetonitrile?
The molecular formula of 2-(4-(Methylthio)phenyl)acetonitrile is C9H9NS.
What is the molecular weight of 2-(4-(Methylthio)phenyl)acetonitrile?
The molecular weight of 2-(4-(Methylthio)phenyl)acetonitrile is 163.05 g/mol.
Where can I buy 2-(4-(Methylthio)phenyl)acetonitrile?
You can request a quote for 2-(4-(Methylthio)phenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(Methylthio)phenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(Methylthio)phenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.